4,8-dimethoxy-7-[(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)methoxy]furo[2,3-b]quinoline

• ChemBase ID: 180595
• Molecular Formular: C21H25NO6
• Molecular Mass: 387.4263
• Monoisotopic Mass: 387.16818753
• SMILES: c12nc3c(c(c1ccc(c2OC)OCC1OC(OC1(C)C)(C)C)OC)cco3
• Canonical SMILES: COc1c(OCC2OC(OC2(C)C)(C)C)ccc2c1nc1occc1c2OC
• InChI: InChI=1S/C21H25NO6/c1-20(2)15(27-21(3,4)28-20)11-26-14-8-7-12-16(18(14)24-6)22-19-13(9-10-25-19)17(12)23-5/h7-10,15H,11H2,1-6H3
• InChIKey: OVRHYRNVXCEKKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,8-dimethoxy-7-[(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)methoxy]furo[2,3-b]quinoline
• IUPAC Traditional name: 4,8-dimethoxy-7-[(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)methoxy]furo[2,3-b]quinoline

Database IDs

• PubChem SID: 164236505
• PubChem CID: 2837666

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.263536
• LogD (pH = 7.4): 3.2636106
• Log P: 3.2636116
• Molar Refractivity: 101.6814 cm^3
• Polarizability: 41.76557 Å^3
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds